Webinar
Life Science
- Jun 25, 2024
Expediting FEP+ model optimization for challenging systems with a fully automated, machine learning-driven workflow
FEP+ is a powerful predictive technology in drug discovery – with applications from hit discovery through lead optimization. A critical first step in deploying FEP+ is to validate and optimize the model for the protein-ligand system of interest.
Webinar
Life Science
- Jun 18, 2024
Schrödinger デジタル創薬セミナー: Into the Clinic ~計算化学がもたらす創薬プロセスの変貌~ 第11回
強固なコンフォメーションのアンサンブル生成能力、受容体との相互作用を予測するための新しいドッキングワークフロー、ペプチド薬開発における特性空間の微調整の強化など、進化した構造ベースのツールを用いた事例を紹介します
Webinar
Life Science
- Mar 28, 2024
Schrödinger デジタル創薬セミナー: Into the Clinic ~計算化学がもたらす創薬プロセスの変貌~
AI/Machine LearningによるアクティブラーニングとAbsolute Binding FEP+を活用した新しいバーチャルスクリーニング手法最新の創薬研究事例を紹介します。
Webinar
Life Science
- May 21, 2024
LiveDesign for Biologics: Improving and expediting biologics discovery with a centralized, collaborative informatics platform
In this webinar, we explore LiveDesign, Schrödinger’s collaborative enterprise informatics platform.
Webinar
Life Science
Materials Science
- Apr 25, 2024
Introducing PyMOL 3: Bring your biochemistry to life with 3D molecular visualization and movie making
With PyMOL 3, we take molecular visualization to new heights – empowering scientists, educators, marketers, and communicators to bring their science to life.
Webinar
Life Science
- Mar 19, 2024
Schrödinger デジタル創薬セミナー: Free Energy Calculations beyond Small Molecule Binding: Predicting Antibody Affinity, pH Sensing, Receptor Functional Response and More
この講演では、FEP+メソッドの最近の拡張により、小分子結合以外の高付加価値のアプリケーションが能になった事例を紹介します
Webinar
Life Science
- Feb 28, 2024
Accurate modeling of receptor functional response: GPCRs and beyond
In this webinar, we present a tractable and computationally efficient protocol that can accurately and reliably predict the functional response of a receptor to ligand binding.
Webinar
Life Science
- Jan 25, 2024
Impacting Drug Discovery Programs with Large-Scale De Novo Design
Developing technologies to more comprehensively and effectively enable de novo design of high-quality chemical matter has been a long-standing goal of drug discovery.
Webinar
Life Science
- Dec 20, 2023
Chinese Webinar: 薛定谔中文讲座：DLK在计算机辅助药物设计中的案例研究 ，网络讲座录制 计算机驱动用于治疗神经退行性疾病的高效、高选择性和穿透脑血屏障的DLK抑制剂的发现
双亮氨酸拉链激酶（DLK）（又名MAP3K12）是混合系谱激酶（MLK）家族的成员，它包含一个N-末端激酶结构域，后面跟着两个亮氨酸拉链结构域以及一个富含甘氨酸/丝氨酸/脯氨酸的C-末端结构域。它主要在神经元细胞中表达，特别是在神经元的突触末端和轴突中
Webinar
Life Science
- Dec 7, 2023
In silico enabled discovery of KAI-11101, a potent, selective, and brain-penetrant DLK inhibitor for the treatment of neurodegenerative diseases
In this webinar, we detail the program led by Schrödinger Therapeutics Group to discover a novel, potent, selective, and brain-penetrant DLK inhibitor (KAI-11101).
Webinar
Life Science
- Nov 8, 2023
In Silico Driven Drug Discovery of a Zwitterionic Integrin αvβ6 Development Candidate for Fibrosis
In this webinar, discover how in silico techniques combined with traditional medicinal chemistry approaches are applied in a structure-based drug discovery program.
Webinar
Life Science
- Oct 4, 2023
Leveraging machine learning applications combined with physics-based modeling for drug discovery
Machine learning strategies in drug discovery are becoming increasingly popular and can be used in various areas.
Events
Webinar
Materials Science
- Jul 23, 2026
Accelerating sustainable chemical innovation with physics-powered AI and predictive modeling
Join us for a webinar with Innovation Research Interchange and learn how the Fast-Moving Consumer Goods (FMCG) sector is currently navigating a significant transition driven by a global consumer shift toward “clean label” products and high-transparency ingredient lists.
Webinar
Life Science
- Jul 29, 2026
Standing out in a competitive landscape: The power of structure-based biologics design
Join our upcoming webinar to learn how to leverage advanced in silico methods to de-risk your molecules and increase your experimental success rates.
Event
Life Science
- Jul 30, 2026
Schrödinger Japan Life Sciences User Group Meeting 2026
新規テクノロジーの紹介を始め、実際の創薬プロジェクトでの活用事例を、国内外のユーザー様からのご発表を含めてご紹介します。
Webinars
Webinar
Life Science
- Jul 29, 2026
Standing out in a competitive landscape: The power of structure-based biologics design
Join our upcoming webinar to learn how to leverage advanced in silico methods to de-risk your molecules and increase your experimental success rates.
Webinar
Life Science
- May 27, 2026
Biologics modeling for wet lab scientists: Detecting and deprioritizing dead ends before they reach the bench recording
Join us to learn how to detect and deprioritize high-risk candidates, effectively discarding developability dead-ends before they ever reach the bench.
Webinar
Life Science
- Apr 30, 2026
Educator’s Week 2026
Join us for a series of live webinar presentations from leading educators at top academic institutions, as well as talks by Schrödinger scientists.
Documentation
- Documentation
Learning Path: Oligonucleotide Modeling
A structured overview of tools and workflows for nucleic acids in drug discovery.
- Documentation
WaterMap
Efficiently converged MD simulations are run with explicit water molecules, and resultant trajectories are analyzed to cluster hydration sites.
- Documentation
SiteMap
Identify binding sites, including allosteric binding sites and protein-protein interfaces, and evaluate their druggability.
Tutorials
- Tutorial
Structure-Based Virtual Screening using Glide
Prepare receptor grids for docking, dock molecules and examine the docked poses.
- Tutorial
Ligand Binding Pose Generation for FEP+
Generate starting poses for FEP simulations for a series of BACE1 inhibitors using core constrained docking.
- Tutorial
Homology Modeling of Protein-Ligand Binding Sites with IFD-MD
Create a homology model of TYK2 from JAK3 and including a bound ligand. Compare this model with the crystal structure for TYK2 bound to 4GIH.
Training Videos
Video
Life Science
Getting Going with Maestro BioLuminate
A free video series introducing the basics of using Maestro Bioluminate.
Video
Life Science
- Tutorial
- Video
The LiveDesign Assistant
Learn how to build and adjust coloring rules, create Freeform and Formula columns, and plot data using the LiveDesign Assistant.
Publications
- Publication
- May 8, 2026
Discovery of 2H-Pyrrolo[3,4-c]pyridin-3-one Derivatives as Type-III c-MET Inhibitors Enabled by Free-Energy Perturbation CalculationsCl
Therrien, et al. ACS Medicinal Chemistry Letters, 2026
- Publication
- Apr 8, 2026
Structure-Based Discovery of Imidazo[4,5-c]pyridine SARM1 Modulators Showing Paradoxical Activation
Albanese, et al. Journal of Medicinal Chemistry, 2026, 69(8), 9521–9536
- Publication
- Mar 21, 2026
Structure-Based Calculation of Excipient Effects on the Viscosity of Concentrated Antibody Solutions
Shelley, et al. mAbs, 2026, 18(1)
Case Studies
Case Study
Life Science
Materials Science
Case Study
Life Science
Case Study
Life Science
White Papers
White Paper
Life Science
- Jan 29, 2026
FEP+ Pose Builder — maximizing utility and productivity in FEP simulations
FEP+ Pose Builder is a methodological advancement introduced as an integrated feature to drastically enhance accessibility, user-friendliness, and productivity within the FEP+ pipeline.
White Paper
Life Science
- Oct 29, 2024
20 Years of Glide: A Legacy of Docking Innovation and the Next Frontier with Glide WS
Glide has long set the gold standard for commercial molecular docking software due to its robust performance in both binding mode prediction and empirical scoring tasks, ease of use, and tight integration with Schrödinger’s Maestro interface and molecular discovery workflows.
White Paper
Life Science
Quick Reference Sheets
- Quick Reference Sheet
Force Field Builder
A one-page guide to calculate missing torsion parameters for ligands using the Force Field Builder panel.
- Quick Reference Sheet
Ligand Interaction Diagram
A one-page guide to using the Ligand Interaction Diagram for examining ligand-receptor interactions.
- Quick Reference Sheet
GlideMap
A one-page guide to using the GlideMap GUI for ligand placement guided by experimental density.
Latest insights from Extrapolations blog
With FEP+, “The Experiment is the Limit.”
Over the past century, small molecule drugs have represented the dominant modality in drug research, enabling medical breakthroughs that have saved countless lives.
Tackling Drug Solubility: AbbVie and Schrödinger Collaborate to Advance Accurate Prediction Methods
The complexity and size of drug candidates has grown in recent years as scientists pursue novel targets once considered undruggable.
Blog
Can AlphaFold Models be Used for Structure-Based Drug Design? A Perspective Two Years In
We recently sat down with Edward Miller, Senior Director of Protein Structure Modeling at Schrödinger, to discuss his experience using AlphaFold models for SBDD.
Training & Resources
Online certification courses
Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.
Free learning resources
Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.
Other Resources